SCHEMBL4981597

SCHEMBL4981597

C=C(C)C(=O)OCCCN(CCCC)C(=O)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
HPGD P15428 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4984425 0.95 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4975730 0.94 TSHR (0.66) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4983928 0.94 TSHR (0.66) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4982835 0.94 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4983026 0.89 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4980363 0.84 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL868944 0.83 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4977383 0.83 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4985179 0.83 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL23530396 0.82 TSHR (0.66) TSHRTHRBALDH1A1POLBAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080053835-A1 Monomer Compound, Process for Producing the Same, Polymer Thereof, and Water-Based Curable Composition KANSAI PAINT CO., LTD. (JP) 2008-03-06 US disclosed
EP-1798218-A1 MONOMER COMPOUND, PROCESS FOR PRODUCING THE SAME, POLYMER THEREOF, AND WATER-BASED CURABLE COMPOSITION KANSAI PAINT CO., LTD. (JP) 2007-06-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080053835-A1 Monomer Compound, Process for Producing the Same, Polymer Thereof, and Water-Based Curable Composition THEM6, PAM, WEE1 TSHR 4460/4885THRB 3274/4885ALDH1A1 741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.